N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide

C29H36N4 — CID 139917684

IUPACN'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide
SMILESCN(C=NNCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H36N4/c1-32(28-16-9-4-10-17-28)24-31-30-20-11-21-33-22-18-27(19-23-33)29(25-12-5-2-6-13-25)26-14-7-3-8-15-26/h2-10,12-17,24,27,29-30H,11,18-23H2,1H3
InChIKeySBTZAXMIDMWZOC-UHFFFAOYSA-N
MW440.64 g/mol
LogP5.59
Rot. Bonds10

About N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide

N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide (PubChem CID 139917684) has the molecular formula C29H36N4 and a molecular weight of 440.64 g/mol. Its IUPAC name is N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide
PubChem CID139917684
Molecular FormulaC29H36N4
Molecular Weight440.64 g/mol
Exact Mass440.29
IUPAC NameN'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide
SMILESCN(C=NNCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H36N4/c1-32(28-16-9-4-10-17-28)24-31-30-20-11-21-33-22-18-27(19-23-33)29(25-12-5-2-6-13-25)26-14-7-3-8-15-26/h2-10,12-17,24,27,29-30H,11,18-23H2,1H3
InChIKeySBTZAXMIDMWZOC-UHFFFAOYSA-N
XLogP5.59
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.64
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
2-[4-[4-(4-benzhydrylpiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
CID 20572775
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
CID 14407082
2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide
CID 20558882
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342752

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide?
The IUPAC name of N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide (CID 139917684) is N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide.
What is the SMILES notation for N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide?
The canonical SMILES for N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide is CN(C=NNCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide?
The InChIKey is SBTZAXMIDMWZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4/c1-32(28-16-9-4-10-17-28)24-31-30-20-11-21-33-22-18-27(19-23-33)29(25-12-5-2-6-13-25)26-14-7-3-8-15-26/h2-10,12-17,24,27,29-30H,11,18-23H2,1H3.
What are the key properties of N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide?
N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide has a molecular weight of 440.64 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide is sourced from PubChem (CID 139917684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).